(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone

Properties Image MNX_ID MNXM115131 reference chebi:172047 formula C12H20O2 global charge 0 mol weight 196.29 InChIKey TZRMFZSOOVBPPN-UHFFFAOYSA-N InChI InChI=1S/C12H20O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h9-11H,2-8H2,1H3 SMILES CCCCC1OC(=O)C2CCCCC12 MNX internals InChI (mnx) InChI=1/C12H20O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h9-11H,2-8H2,1H3/t9?,10?,11? SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:8][CH:11]1[CH:9]2[CH2:6][CH2:4][CH2:5][CH2:7][CH:10]2[C:12](=[O:13])[O:14]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0